HuagongsheHuagongshe Chemistry Print Report · For research reference only
alpha-Isocyanato-2-thiopheneacetic acid, ethyl ester
Identifiers & Physical Properties
| Molecular formula | C9H9NO3S |
|---|---|
| Average molar mass | 211.24 g/mol |
| SMILES | CCOC(=O)C(N=C=O)c1cccs1 |
| InChIKey | MEVZREWTQFLMAQ-UHFFFAOYSA-N |
| PubChem CID | 54068691 |
Chemical & Physical Properties
| XLogP | 2.9 |
|---|---|
| Topological polar surface area | 84 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 14 |
| Formal charge | 0 |
| Complexity | 250 |